(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (6-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (6-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-11-3-6-16-18-13(9-19(16)8-11)10-26-17(21)12-4-5-15(27(2,24)25)14(7-12)20(22)23/h3-9H,10H2,1-2H3